SCHEMBL6418359

SCHEMBL6418359

CNCc1ccc(Cl)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.48
HTR2A P28223 8/20 0.48
KCNH2 Q12809 7/20 0.48
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2C P28335 1/20 0.47
HTR1E P28566 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
HTR5A P47898 1/20 0.47
HTR6 P50406 1/20 0.47
SLC6A3 Q01959 4/20 0.47
SLC6A2 P23975 3/20 0.47
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4425776 0.85 MAPT (0.44) SLC6A4HTR2AKCNH2HTR1AHTR1D
SCHEMBL5406572 0.84 SLC6A4 (0.53) SLC6A4HTR2AKCNH2HTR1AHTR1D
Hydrochloric Acid SCHEMBL5396979 0.82 SLC6A4 (0.51) SLC6A4HTR2AKCNH2HTR1AHTR1D
SCHEMBL1585868 0.81 KDM1A (0.44) SLC6A4HTR7SLC6A3SLC6A2MAPT
SCHEMBL298380 0.81 SLC6A4 (0.67) SLC6A4HTR2AKCNH2HTR1AHTR1D
SCHEMBL30139651 0.81 SLC6A4 (0.67) SLC6A4HTR2AKCNH2HTR1AHTR1D
SCHEMBL30139650 0.81 SLC6A4 (0.67) SLC6A4HTR2AKCNH2HTR1AHTR1D
SCHEMBL23803553 0.80 MAPT (0.49) MAPTMAPK1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6076721 0.79 SLC6A4 (0.65) SLC6A4HTR2AKCNH2HTR1AHTR1D
SCHEMBL16812425 0.78 HTR7 (0.46) SLC6A4HTR2AKCNH2HTR7MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441704-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2025-10-14 US disclosed
EP-4139308-B1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-07-17 EP disclosed
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 US disclosed
US-20210188807-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS ALMIRALL, S.A. (ES) 2021-06-24 US disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
CN-1239472-C HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2006-02-01 CN disclosed
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
CN-1441775-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2003-09-10 CN disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 SLC6A4 3455/4885HTR2A 2372/4885KCNH2 1122/4885
US-11685727-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 SLC6A4 4193/4885HTR2A 1544/4885KCNH2 4790/4885
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC SLC6A4 4503/4885HTR2A 4309/4885KCNH2 4860/4885
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 SLC6A4 4193/4885HTR2A 1544/4885KCNH2 4790/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 SLC6A4 3867/4885HTR2A 3482/4885KCNH2 880/4885
US-12441704-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 SLC6A4 4193/4885HTR2A 1544/4885KCNH2 4790/4885
US-20210188807-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 SLC6A4 4193/4885HTR2A 1544/4885KCNH2 4790/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 SLC6A4 3867/4885HTR2A 3482/4885KCNH2 880/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.